Related papers: Vibrational averages along thermal lines
In this work, we propose a theory of temperature estimation of quantum systems, which is applicable in the regime of non-negligible prior temperature uncertainty and limited measurement data. In this regime the problem of establishing a…
Data on thermal absorptivity and emissivity are important for calculations of heat flows in cryogenic devices. Although thermal radiative properties of materials used in cryogenics are measured, published and used for more than sixty years…
The classical problem of thermal explosion is modified so that the chemically active gas is not at rest but is flowing in a long cylindrical pipe. Up to a certain section the heat-conducting walls of the pipe are held at low temperature so…
We propose a new mathematical tool for the study of transport properties of models for lattice vibrations in crystalline solids. By replication of dynamical degrees of freedom, we aim at a new dynamical system where the "local" dynamics can…
In bulk systems, molecules are routinely identified by their vibrational spectrum using Raman or infrared spectroscopy. In recent years, vibrational excitation lines have been observed in low-temperature conductance measurements on single…
The problem of estimating a parameter of a quantum system through a series of measurements performed sequentially on a quantum probe is analyzed in the general setting where the underlying statistics is explicitly non-i.i.d. We present a…
Quantum effects in material systems are often pronounced at low energies and become insignificant at high temperatures. We find that, perhaps counterintuitively, certain quantum effects may follow the opposite route and become sharp when…
Variational quantum algorithms offer a promising framework for solving eigenvalue problems on near-term quantum hardware, yet their applicability beyond electronic structure calculations remains relatively unexplored. In this work, we…
We use temperature tuning to control signal propagation in simple one-dimensional arrays of masses connected by hard anharmonic springs and with no local potentials. In our numerical model a sustained signal is applied at one site of a…
First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing…
We present a microscopic picture rationalizing the surprisingly steep decrease of the band gap with temperature in insulators, crystalline or otherwise. The gap narrowing largely results from fluctuations of long-wavelength optical…
We present example applications of an approach to first-principles calculations of vibrational properties of materials implemented within the Exabyte.io platform. We deploy models based on the Density Functional Perturbation Theory to…
The atomic scale is the only relevant thermodynamic scale in our universe, since quantum properties restrict classical considerations of subatomic physics and disappear for larger scales. Then the characteristic energy that dictates the…
Selfsimilar space-time fractal fluctuations are generic to dynamical systems in nature such as atmospheric flows, heartbeat patterns, population dynamics, etc. The physics of the long-range correlations intrinsic to fractal fluctuations is…
Recent advances regarding the interplay between ab initio calculations and metrology are reviewed, with particular emphasis on gas-based techniques used for temperature and pressure measurements. Since roughly 2010, several thermophysical…
In this paper, we investigate the use of variational quantum algorithms for simulating the thermodynamic properties of dinuclear metal complexes. Our study highlights the potential of quantum computing to transform advanced simulations and…
We characterize vibrational motion occurring at low temperatures in dense suspensions of soft repulsive spheres over a broad range of volume fractions encompassing the jamming transition at (T = 0, phi = phi_J). We find that characteristic…
Deviation from perfect conical dispersion in Dirac materials, such as the presence of mass or tilting, enhances control and directionality of electronic transport. To identify these signatures, we analyze the thermal derivative spectra of…
For objects of "large" vibration size such as waves on the sea surface, the choice of measurement method can create different understandings of system behavior. In one case, laser vibrometry measurements of a vibrating bar in a controlled…
The statistics of the heat exchanged between two quantum XX spin chains prepared at different temperatures is studied within the assumption of weak coupling. This provides simple formulas for the average heat and its corresponding…